alpha-Methyl-1-(phenylsulfonyl)-1H-indole-2-methanol

HCID 12908473

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Basic information

CAS: 80360-24-3
Standard SMILES: CC(O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIKey: XQILEIGQLCNNHX-UHFFFAOYSA-N
Molecular formula: C16H15NO3S
Average molar mass: 301.4 g/mol
Monoisotopic mass: 301.07726451

Names & identifiers

Preferred name: alpha-Methyl-1-(phenylsulfonyl)-1H-indole-2-methanol
IUPAC: 1-[1-(benzenesulfonyl)indol-2-yl]ethanol
English name: 1-[1-(Phenylsulfonyl)indole-2-yl]ethanol
Molecular formula: C16H15NO3S
Molecular weight: 301.3602

Names & synonyms

80360-24-3RefChem:318436alpha-Methyl-1-(phenylsulfonyl)-1H-indole-2-methanol1-(1-(Phenylsulfonyl)-1H-indol-2-yl)ethanol1-[1-(Benzenesulfonyl)-1H-indol-2-yl]ethan-1-olDTXSID30512686AKOS0159648581ethanol1-[1-(Phenylsulfonyl)indole-2-yl]ethanol

Database identifiers

CAS: 80360-24-3
PubChem CID: 12908473
DTXSID: DTXSID30512686

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 67.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 453

Chemistry & industry

Suppliers3 total

APAC Pharmaceutical, LLC[email protected]

AlliChem, LLC[email protected]

CHEMPACIFIC[email protected]

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Compound notes

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